1-aminoethanol;6-cyclohexyl-1-hydroxy-4-methylpyridin-2-one

C14H24N2O3 — CID 57465385

IUPAC1-aminoethanol;6-cyclohexyl-1-hydroxy-4-methylpyridin-2-one
SMILESCC(N)O.Cc1cc(C2CCCCC2)n(O)c(=O)c1
InChIInChI=1S/C12H17NO2.C2H7NO/c1-9-7-11(13(15)12(14)8-9)10-5-3-2-4-6-10;1-2(3)4/h7-8,10,15H,2-6H2,1H3;2,4H,3H2,1H3
InChIKeyIHJQJCYIVVRVKX-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.73
Rot. Bonds1

About 1-aminoethanol;6-cyclohexyl-1-hydroxy-4-methylpyridin-2-one

1-aminoethanol;6-cyclohexyl-1-hydroxy-4-methylpyridin-2-one (PubChem CID 57465385) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-aminoethanol;6-cyclohexyl-1-hydroxy-4-methylpyridin-2-one.

Molecular Properties

Compound Name1-aminoethanol;6-cyclohexyl-1-hydroxy-4-methylpyridin-2-one
PubChem CID57465385
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name1-aminoethanol;6-cyclohexyl-1-hydroxy-4-methylpyridin-2-one
SMILESCC(N)O.Cc1cc(C2CCCCC2)n(O)c(=O)c1
InChIInChI=1S/C12H17NO2.C2H7NO/c1-9-7-11(13(15)12(14)8-9)10-5-3-2-4-6-10;1-2(3)4/h7-8,10,15H,2-6H2,1H3;2,4H,3H2,1H3
InChIKeyIHJQJCYIVVRVKX-UHFFFAOYSA-N
XLogP1.73
TPSA88.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-aminoethanol;6-cyclohexyl-1-hydroxy-4-methylpyridin-2-one?
The IUPAC name of 1-aminoethanol;6-cyclohexyl-1-hydroxy-4-methylpyridin-2-one (CID 57465385) is 1-aminoethanol;6-cyclohexyl-1-hydroxy-4-methylpyridin-2-one.
What is the SMILES notation for 1-aminoethanol;6-cyclohexyl-1-hydroxy-4-methylpyridin-2-one?
The canonical SMILES for 1-aminoethanol;6-cyclohexyl-1-hydroxy-4-methylpyridin-2-one is CC(N)O.Cc1cc(C2CCCCC2)n(O)c(=O)c1.
What is the InChIKey of 1-aminoethanol;6-cyclohexyl-1-hydroxy-4-methylpyridin-2-one?
The InChIKey is IHJQJCYIVVRVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2.C2H7NO/c1-9-7-11(13(15)12(14)8-9)10-5-3-2-4-6-10;1-2(3)4/h7-8,10,15H,2-6H2,1H3;2,4H,3H2,1H3.
What are the key properties of 1-aminoethanol;6-cyclohexyl-1-hydroxy-4-methylpyridin-2-one?
1-aminoethanol;6-cyclohexyl-1-hydroxy-4-methylpyridin-2-one has a molecular weight of 268.36 g/mol, XLogP of 1.73, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminoethanol;6-cyclohexyl-1-hydroxy-4-methylpyridin-2-one is sourced from PubChem (CID 57465385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).